Markov State Models Reveal a Two-Step Mechanism of miRNA Loading into the Human Argonaute Protein: Selective Binding followed by Structural Re-arrangement

• Hanlun Jiang,

  Affiliations Bioengineering Graduate Program, Division of Biomedical Engineering, The Hong Kong University of Science and Technology, Clear Water Bay, Kowloon, Hong Kong, The HKUST Shenzhen Research Institute, Shenzhen, China

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• Fu Kit Sheong,

  Affiliation Department of Chemistry, The Hong Kong University of Science and Technology, Clear Water Bay, Kowloon, Hong Kong

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• Lizhe Zhu,

  Affiliations The HKUST Shenzhen Research Institute, Shenzhen, China, Department of Chemistry, The Hong Kong University of Science and Technology, Clear Water Bay, Kowloon, Hong Kong, Center of Systems Biology and Human Health, School of Science and Institute for Advance Study, The Hong Kong University of Science and Technology, Clear Water Bay, Kowloon, Hong Kong

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• Xin Gao,

  Affiliation Computer, Electrical and Mathematical Sciences and Engineering Division, King Abdullah University of Science and Technology, Thuwal, Saudi Arabia

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• Julie Bernauer ,

  * E-mail: julie.bernauer@inria.fr (JB); xuhuihuang@ust.hk (XH)

  Affiliations Inria Saclay-Île de France, Bâtiment Alan Turing, Campus de l’École Polytechnique, Palaiseau, France, Laboratoire d’Informatique de l’École Polytechnique (LIX), CNRS UMR 7161, École Polytechnique, Palaiseau, France

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• Xuhui Huang

  * E-mail: julie.bernauer@inria.fr (JB); xuhuihuang@ust.hk (XH)

  Affiliations Bioengineering Graduate Program, Division of Biomedical Engineering, The Hong Kong University of Science and Technology, Clear Water Bay, Kowloon, Hong Kong, The HKUST Shenzhen Research Institute, Shenzhen, China, Department of Chemistry, The Hong Kong University of Science and Technology, Clear Water Bay, Kowloon, Hong Kong, Center of Systems Biology and Human Health, School of Science and Institute for Advance Study, The Hong Kong University of Science and Technology, Clear Water Bay, Kowloon, Hong Kong

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